cyclopropyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C22H26N2O4/c1-27-20-11-5-17(6-12-20)14-24(19-9-10-19)15-21(25)23-13-16-3-7-18(8-4-16)22(26)28-2/h3-8,11-12,19H,9-10,13-15H2,1-2H3,(H,23,25)/p+1